Roland Lindh
0000-0001-7567-8295
110 papers found
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On the Thermodynamic Stability of ArO4
Tetramethylene: A CASPT2 study
Ab initio model potential embedded-cluster study of the ground and lowest excited states of Cr 3+ defects in the elpasolites Cs 2NaYCl 6 and Cs 2NaYBr 6
An integral direct, distributed-data, parallel MP2 algorithm
On the significance of the trigger reaction in the action of the calicheamicin γ I 1 anti-cancer drug
The water dimer interaction energy: Convergence to the basis set limit at the correlated level
Singlet benzyne thermochemistry: a CASPT2 study of the enthalpies of formation
Direct self-consistent reaction field with Pauli repulsion: solvation effects on methylene peroxide
On the Relation between Retention Indexes and the Interaction between the Solute and the Column in Gas-Liquid Chromatography
Extended ab Initio and Theoretical Thermodynamics Studies of the Bergman Reaction and the Energy Splitting of the Singlet o-, m-, and p-Benzynes
On the use of a Hessian model function in molecular geometry optimizations
Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles
Ab Initio Study of the Bergman Reaction: The Autoaromatization of Hex-3-ene-1,5-diyne
The fraternal twins of quartet O 4 +
Symmetry breaking in O + 4: an application of the Brueckner coupled-cluster method
Theoretical study of the electronic spectrum of all-trans-1,3,5,7-octatetraene
The reduced multiplication scheme of the Rys-Gauss quadrature for 1st order integral derivatives
Bond length, dipole moment, and harmonic frequency of CO
Towards an accurate molecular orbital theory for excited states : Ethene, butadiene, and hexatriene
Quantum chemistry on parallel computer architectures: coupled-cluster theory applied to the bending potential of fulminic acid
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